SCHEMBL2491948

SCHEMBL2491948

CN1CCC(NC(=O)c2ccc3ncn(-c4nc(-c5cccc(Cl)c5)c(C(N)=O)s4)c3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.40
PLK1 P53350 6/20 0.40
NEK2 P51955 3/20 0.40
PTK2 Q05397 1/20 0.40
ATR Q13535 1/20 0.40
MAPK14 Q16539 4/20 0.39
FLT3 P36888 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
PLK3 Q9H4B4 2/20 0.39
POLB P06746 1/20 0.39
PIK3CD O00329 1/20 0.39
NUAK1 O60285 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39
KDR P35968 1/20 0.39
HPGD P15428 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
MAPK11 Q15759 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2544195 0.86 MAP4K4 (0.41) PLK1NEK2FLT3PLK3PIK3CD
SCHEMBL2539039 0.85 ALDH1A1 (0.44) MAPTPIK3CDHPGD
SCHEMBL2488963 0.84 NPC1 (0.44) PLK1NEK2FLT3PLK3PIK3CD
SCHEMBL2491375 0.84 FGFR1 (0.47) PLK1
SCHEMBL2539045 0.83 PLK1 (0.59) PLK1NEK2PLK3PIK3CDNUAK1
SCHEMBL2538229 0.82 PLK1 (0.57) PLK1NEK2PLK3PIK3CDNUAK1
SCHEMBL2540896 0.81 PLK1 (0.39) PLK1NEK2MAPK14FLT3PLK3
SCHEMBL2529082 0.80 MCHR1 (0.40) PLK1NEK2FLT3PLK3PIK3CD
SCHEMBL2492510 0.80 PLK1 (0.49) PLK1NEK2FLT3MAPTPLK3
SCHEMBL2493735 0.79 PLK1 (0.42) PLK1NEK2FLT3PLK3PIK3CD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379543-A2 THIAZOLYL-BENZIMIDAZOLES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP claimed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US claimed
EP-2379543-A2 THIAZOLYL-BENZIMIDAZOLES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 ACSS2 2157/4885PLK1 2782/4885NEK2 929/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.